CID 5014600

Di-t-butyl diazomalonate

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C

InChI

InChI=1S/C11H18N2O4/c1-10(2,3)16-8(14)7(13-12)9(15)17-11(4,5)6/h1-6H3

InChIKey

RXYMTVAHQNMICF-UHFFFAOYSA-N

Compound name

ditert-butyl 2-diazopropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 242.12666 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.13394	170.9
[M+Na]+	265.11588	177.7
[M+NH4]+	260.16048	180.0
[M+K]+	281.08982	187.0
[M-H]-	241.11938	166.6
[M+Na-2H]-	263.10133	169.0
[M]+	242.12611	173.0
[M]-	242.12721	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe